CID 14442217

4-(methoxymethyl)-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
COCC1=CCNCC1
InChI
InChI=1S/C7H13NO/c1-9-6-7-2-4-8-5-3-7/h2,8H,3-6H2,1H3
InChIKey
MRFIPTCIQWTHBC-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

127.09972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 126.9
[M+Na]+ 150.088938 132.6
[M-H]- 126.092444 127.1
[M+NH4]+ 145.133543 146.9
[M+K]+ 166.062878 131.3
[M+H-H2O]+ 110.096980 120.9
[M+HCOO]- 172.097921 146.7
[M+CH3COO]- 186.113571 168.0
[M+Na-2H]- 148.074386 133.7
[M]+ 127.09917142 123.3
[M]- 127.10026858 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe